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3E4E
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BU of 3e4e by Molmil
Human cytochrome P450 2E1 in complex with the inhibitor 4-methylpyrazole
Descriptor: 4-methyl-1H-pyrazole, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Meneely, K.M, Porubsky, P.R, Scott, E.E.
Deposit date:2008-08-11
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of human cytochrome P450 2E1: insights into the binding of inhibitors and both small molecular weight and fatty acid substrates.
J.Biol.Chem., 283, 2008
1L9C
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BU of 1l9c by Molmil
Role of Histidine 269 in Catalysis by Monomeric Sarcosine Oxidase
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Monomeric Sarcosine Oxidase, ...
Authors:Zhao, G, Song, H, Chen, Z.-w, Mathews, F.S, Jorns, M.S.
Deposit date:2002-03-22
Release date:2002-08-30
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Monomeric sarcosine oxidase: role of histidine 269 in catalysis.
Biochemistry, 41, 2002
8C8W
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BU of 8c8w by Molmil
Priestia megaterium mupirocin hyper-resistant HIGH motif mutant of type 2 isoleucyl-tRNA synthetase complexed with an isoleucyl-adenylate analogue
Descriptor: D(-)-TARTARIC ACID, Isoleucine--tRNA ligase, N-[ISOLEUCINYL]-N'-[ADENOSYL]-DIAMINOSUFONE, ...
Authors:Brkic, A, Leibundgut, M, Jablonska, J, Zanki, V, Car, Z, Petrovic Perokovic, V, Ban, N, Gruic-Sovulj, I.
Deposit date:2023-01-21
Release date:2023-08-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Antibiotic hyper-resistance in a class I aminoacyl-tRNA synthetase with altered active site signature motif.
Nat Commun, 14, 2023
8C9F
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BU of 8c9f by Molmil
Priestia megaterium inactive HIGH motif mutant of type1 isoleucyl-tRNA synthetase complexed with an isoleucyl-adenylate analogue.
Descriptor: CHLORIDE ION, Isoleucine--tRNA ligase, LITHIUM ION, ...
Authors:Brkic, A, Leibundgut, M, Jablonska, J, Zanki, V, Car, Z, Petrovic Perokovic, V, Ban, N, Gruic-Sovulj, I.
Deposit date:2023-01-21
Release date:2023-08-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Antibiotic hyper-resistance in a class I aminoacyl-tRNA synthetase with altered active site signature motif.
Nat Commun, 14, 2023
1WL9
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BU of 1wl9 by Molmil
Structure of aminopeptidase P from E. coli
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Xaa-Pro aminopeptidase
Authors:Graham, S.C, Bond, C.S, Freeman, H.C, Guss, J.M.
Deposit date:2004-06-22
Release date:2005-08-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional implications of metal ion selection in aminopeptidase p, a metalloprotease with a dinuclear metal center
Biochemistry, 44, 2005
2PWV
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BU of 2pwv by Molmil
tRNA guanine transglycosylase E235Q mutant in complex with preQ0
Descriptor: 2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Tidten, N, Stengl, B, Heine, A, Reuter, K, Klebe, G.
Deposit date:2007-05-13
Release date:2007-10-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Glutamate versus Glutamine Exchange Swaps Substrate Selectivity in tRNA-Guanine Transglycosylase: Insight into the Regulation of Substrate Selectivity by Kinetic and Crystallographic Studies.
J.Mol.Biol., 374, 2007
3PGH
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BU of 3pgh by Molmil
CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A NON-SELECTIVE INHIBITOR, FLURBIPROFEN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, FLURBIPROFEN, ...
Authors:Kurumbail, R, Stallings, W.
Deposit date:1996-12-18
Release date:1997-12-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
1QAN
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BU of 1qan by Molmil
THE STRUCTURE OF THE RRNA METHYLTRANSFERASE ERMC': IMPLICATIONS FOR THE REACTION MECHANISM
Descriptor: ACETATE ION, ERMC' METHYLTRANSFERASE, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Schluckebier, G, Zhong, P, Stewart, K.D, Kavanaugh, T.J, Abad-Zapatero, C.
Deposit date:1999-03-26
Release date:2000-03-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The 2.2 A structure of the rRNA methyltransferase ErmC' and its complexes with cofactor and cofactor analogs: implications for the reaction mechanism.
J.Mol.Biol., 289, 1999
3IK6
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BU of 3ik6 by Molmil
Crystal structure of the AMPA subunit GluR2 bound to the allosteric modulator, chlorothiazide
Descriptor: 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, GLUTAMIC ACID, Glutamate receptor 2, ...
Authors:Ptak, C.P, Ahmed, A.H, Oswald, R.E.
Deposit date:2009-08-05
Release date:2009-09-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Probing the allosteric modulator binding site of GluR2 with thiazide derivatives
Biochemistry, 48, 2009
7Y24
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BU of 7y24 by Molmil
Cryo-EM structure of the octreotide-bound SSTR2-miniGo-scFv16 complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(o) subunit alpha, ...
Authors:Chen, S, Zheng, S.
Deposit date:2022-06-09
Release date:2022-10-19
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Molecular basis for the selective G protein signaling of somatostatin receptors.
Nat.Chem.Biol., 19, 2023
3EPJ
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BU of 3epj by Molmil
Crystallographic snapshots of eukaryotic dimethylallyltransferase acting on tRNA: Insight into tRNA recognition and reaction mechanism
Descriptor: MAGNESIUM ION, ZINC ION, tRNA, ...
Authors:Huang, R.H, Zhou, C.
Deposit date:2008-09-29
Release date:2008-11-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystallographic snapshots of eukaryotic dimethylallyltransferase acting on tRNA: insight into tRNA recognition and reaction mechanism.
Proc.Natl.Acad.Sci.Usa, 105, 2008
1Q4W
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BU of 1q4w by Molmil
CRYSTAL STRUCTURE OF TGT IN COMPLEX WITH 2,6-DIAMINO-3H-QUINAZOLIN-4-ONE
Descriptor: 2,6-DIAMINO-3H-QUINAZOLIN-4-ONE, Queuine tRNA-ribosyltransferase, ZINC ION
Authors:Brenk, R, Meyer, E, Reuter, K, Stubbs, M.T, Garcia, G.A, Klebe, G.
Deposit date:2003-08-04
Release date:2004-04-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystallographic Study of Inhibitors of tRNA-guanine Transglycosylase Suggests a New Structure-based Pharmacophore for Virtual Screening.
J.Mol.Biol., 338, 2004
7AXZ
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BU of 7axz by Molmil
Ku70/80 complex apo form
Descriptor: X-ray repair cross-complementing protein 5, X-ray repair cross-complementing protein 6
Authors:Hnizda, A, Tesina, P, Novak, P, Blundell, T.L.
Deposit date:2020-11-10
Release date:2021-02-10
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:SAP domain forms a flexible part of DNA aperture in Ku70/80.
Febs J., 288, 2021
3E6I
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BU of 3e6i by Molmil
Human cytochrome P450 2E1 in complex with the inhibitor indazole
Descriptor: 1H-indazole, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Porubsky, P.R, Meneely, K.M, Scott, E.E.
Deposit date:2008-08-15
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of human cytochrome P450 2E1: insights into the binding of inhibitors and both small molecular weight and fatty acid substrates.
J.Biol.Chem., 283, 2008
6SDF
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BU of 6sdf by Molmil
N-terminal SH3 domain of Grb2 protein
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Growth factor receptor-bound protein 2
Authors:Bolgov, A.A, Korban, S.A, Luzik, D.A, Rogacheva, O.N, Zhemkov, V.A, Kim, M, Skrynnikov, N.R, Bezprozvanny, I.B.
Deposit date:2019-07-26
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the SH3 domain of growth factor receptor-bound protein 2.
Acta Crystallogr.,Sect.F, 76, 2020
2OAX
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BU of 2oax by Molmil
Crystal structure of the S810L mutant mineralocorticoid receptor associated with SC9420
Descriptor: Mineralocorticoid receptor, SPIRONOLACTONE
Authors:Huyet, J, Pinon, G.M, Fay, M.R, Rafestin-Oblin, M.E, Fagart, J.
Deposit date:2006-12-18
Release date:2007-08-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural basis of spirolactone recognition by the mineralocorticoid receptor
Mol.Pharmacol., 72, 2007
2WGS
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BU of 2wgs by Molmil
Crystal structure of Mycobacterium Tuberculosis Glutamine Synthetase in complex with a purine analogue inhibitor.
Descriptor: 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione, CHLORIDE ION, GLUTAMINE SYNTHETASE 1
Authors:Nilsson, M.T, Krajewski, W.W, Jones, T.A, Mowbray, S.L.
Deposit date:2009-04-27
Release date:2009-09-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural Basis for the Inhibition of Mycobacterium Tuberculosis Glutamine Synthetase by Novel ATP-Competitive Inhibitors.
J.Mol.Biol., 393, 2009
9H6W
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BU of 9h6w by Molmil
Crystal structure of the Salmonella effector SspH1
Descriptor: E3 ubiquitin-protein ligase SspH1, L(+)-TARTARIC ACID
Authors:Kennedy, C.R, Esposito, D, House, D, Rittinger, K.
Deposit date:2024-10-25
Release date:2025-05-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the Salmonella effector SspH1
To Be Published
4ZDM
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BU of 4zdm by Molmil
Pleurobrachia bachei iGluR3 LBD Glycine Complex
Descriptor: GLYCINE, Glutamate receptor kainate-like protein, SODIUM ION, ...
Authors:Grey, R.J, Mayer, M.L.
Deposit date:2015-04-17
Release date:2015-10-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Glycine activated ion channel subunits encoded by ctenophore glutamate receptor genes.
Proc.Natl.Acad.Sci.USA, 112, 2015
1RQ4
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BU of 1rq4 by Molmil
Crystallographic Analysis of the Interaction of Nitric Oxide with Quaternary-T Human Hemoglobin, HEMOGLOBIN EXPOSED TO NO UNDER AEROBIC CONDITIONS
Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, NITRIC OXIDE, ...
Authors:Chan, N.L, Kavanaugh, J.S, Rogers, P.H, Arnone, A.
Deposit date:2003-12-04
Release date:2003-12-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystallographic analysis of the interaction of nitric oxide with quaternary-T human hemoglobin.
Biochemistry, 43, 2004
4WXJ
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BU of 4wxj by Molmil
Drosophila muscle GluRIIB complex with glutamate
Descriptor: GLUTAMIC ACID, Glutamate receptor IIB,Glutamate receptor IIB
Authors:Dharkar, P, Mayer, M.L.
Deposit date:2014-11-13
Release date:2015-04-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Functional reconstitution of Drosophila melanogaster NMJ glutamate receptors.
Proc.Natl.Acad.Sci.USA, 112, 2015
4BAN
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BU of 4ban by Molmil
Thrombin in complex with inhibitor
Descriptor: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ...
Authors:Xue, Y, Musil, D.
Deposit date:2012-09-14
Release date:2013-01-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
4BAK
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BU of 4bak by Molmil
Thrombin in complex with inhibitor
Descriptor: (2S)-N-(4-CARBAMIMIDOYLBENZYL)-1-[(2R)-2-CYCLOHEXYL-2-{[2-OXO-2-(PROPYLAMINO)ETHYL]AMINO}ACETYL]AZETIDINE-2-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-1, ...
Authors:Xue, Y, Musil, D.
Deposit date:2012-09-14
Release date:2013-01-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
1X9F
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BU of 1x9f by Molmil
Hemoglobin Dodecamer from Lumbricus Erythrocruorin
Descriptor: CARBON MONOXIDE, Globin II, extracellular, ...
Authors:Strand, K, Knapp, J.E, Bhyravbhatla, B, Royer Jr, W.E.
Deposit date:2004-08-20
Release date:2004-11-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the hemoglobin dodecamer from lumbricus erythrocruorin: allosteric core of giant annelid respiratory complexes
J.Mol.Biol., 344, 2004
2R0N
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BU of 2r0n by Molmil
The effect of a Glu370Asp mutation in Glutaryl-CoA Dehydrogenase on Proton Transfer to the Dienolate Intermediate
Descriptor: 3-thiaglutaryl-CoA, FLAVIN-ADENINE DINUCLEOTIDE, Glutaryl-CoA dehydrogenase
Authors:Rao, K.S, Albro, M, Fu, Z, Narayanan, B, Baddam, S, Lee, H.J, Kim, J.J, Frerman, F.E.
Deposit date:2007-08-20
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The effect of a Glu370Asp mutation in glutaryl-CoA dehydrogenase on proton transfer to the dienolate intermediate.
Biochemistry, 46, 2007

238582

數據於2025-07-09公開中

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